1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol

C14H21NO2 — CID 3125455

IUPAC1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
SMILESCC1CCCN1CC(O)COc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12-6-5-9-15(12)10-13(16)11-17-14-7-3-2-4-8-14/h2-4,7-8,12-13,16H,5-6,9-11H2,1H3
InChIKeyUCHRYEPDPNXEOH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.91
Rot. Bonds5

About 1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol

1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol (PubChem CID 3125455) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
PubChem CID3125455
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
SMILESCC1CCCN1CC(O)COc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12-6-5-9-15(12)10-13(16)11-17-14-7-3-2-4-8-14/h2-4,7-8,12-13,16H,5-6,9-11H2,1H3
InChIKeyUCHRYEPDPNXEOH-UHFFFAOYSA-N
XLogP1.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423161
(2S)-1-[(2S)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423190
(2S)-1-(4-bromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 1308324
1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 574512
1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 3395732
1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 2770246
4-[(2S)-2-hydroxy-3-[(2S)-2-methylpiperidin-1-yl]propoxy]benzonitrile
CID 92983492
(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51422995
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
(2S)-1-(3,4-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869840
2-[4-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]acetonitrile
CID 100836371
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 16798587

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol (CID 3125455) is 1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol is CC1CCCN1CC(O)COc1ccccc1.
What is the InChIKey of 1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol?
The InChIKey is UCHRYEPDPNXEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12-6-5-9-15(12)10-13(16)11-17-14-7-3-2-4-8-14/h2-4,7-8,12-13,16H,5-6,9-11H2,1H3.
What are the key properties of 1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol?
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol is sourced from PubChem (CID 3125455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).